SCHEMBL4392689

SCHEMBL4392689

COc1cc(NC(=O)CC(C)=O)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7074718 0.88 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1162352 0.84 TDP1 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2914555 0.82 MEN1 (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL10105366 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16896837 0.81 GRM4 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL8751487 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL7529550 0.80 KMT2A (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL4385068 0.80 POLB (0.57) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL21998682 0.80 PPARG (0.59) SMN1; SMN2ALDH1A1MAPTTDP1NPC1
SCHEMBL21998737 0.80 PPARG (0.59) SMN1; SMN2ALDH1A1MAPTTDP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009069314-A2 PIGMENT COMPOSITION, AND POLYMERIZED TONER TOYO INK MFG. CO., LTD. (JP) 2009-06-04 WO disclosed